N-ethyl-4-(trimethoxymethyl)dodecan-1-amine

C18H39NO3 — CID 150436148

IUPACN-ethyl-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCNCC)C(OC)(OC)OC
InChIInChI=1S/C18H39NO3/c1-6-8-9-10-11-12-14-17(15-13-16-19-7-2)18(20-3,21-4)22-5/h17,19H,6-16H2,1-5H3
InChIKeyHKULBGCYPMXNIG-UHFFFAOYSA-N
MW317.51 g/mol
LogP4.34
Rot. Bonds16

About N-ethyl-4-(trimethoxymethyl)dodecan-1-amine

N-ethyl-4-(trimethoxymethyl)dodecan-1-amine (PubChem CID 150436148) has the molecular formula C18H39NO3 and a molecular weight of 317.51 g/mol. Its IUPAC name is N-ethyl-4-(trimethoxymethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(trimethoxymethyl)dodecan-1-amine
PubChem CID150436148
Molecular FormulaC18H39NO3
Molecular Weight317.51 g/mol
Exact Mass317.29
IUPAC NameN-ethyl-4-(trimethoxymethyl)dodecan-1-amine
SMILESCCCCCCCCC(CCCNCC)C(OC)(OC)OC
InChIInChI=1S/C18H39NO3/c1-6-8-9-10-11-12-14-17(15-13-16-19-7-2)18(20-3,21-4)22-5/h17,19H,6-16H2,1-5H3
InChIKeyHKULBGCYPMXNIG-UHFFFAOYSA-N
XLogP4.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(trimethoxymethyl)dodecan-1-amine?
The IUPAC name of N-ethyl-4-(trimethoxymethyl)dodecan-1-amine (CID 150436148) is N-ethyl-4-(trimethoxymethyl)dodecan-1-amine.
What is the SMILES notation for N-ethyl-4-(trimethoxymethyl)dodecan-1-amine?
The canonical SMILES for N-ethyl-4-(trimethoxymethyl)dodecan-1-amine is CCCCCCCCC(CCCNCC)C(OC)(OC)OC.
What is the InChIKey of N-ethyl-4-(trimethoxymethyl)dodecan-1-amine?
The InChIKey is HKULBGCYPMXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3/c1-6-8-9-10-11-12-14-17(15-13-16-19-7-2)18(20-3,21-4)22-5/h17,19H,6-16H2,1-5H3.
What are the key properties of N-ethyl-4-(trimethoxymethyl)dodecan-1-amine?
N-ethyl-4-(trimethoxymethyl)dodecan-1-amine has a molecular weight of 317.51 g/mol, XLogP of 4.34, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(trimethoxymethyl)dodecan-1-amine is sourced from PubChem (CID 150436148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).